4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine

C12H14BrClFN — CID 117491842

IUPAC4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
SMILESFc1c(Cl)ccc(Br)c1CC1CCNCC1
InChIInChI=1S/C12H14BrClFN/c13-10-1-2-11(14)12(15)9(10)7-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2
InChIKeyQOYLHFVWUAZSEN-UHFFFAOYSA-N
MW306.61 g/mol
LogP3.78
Rot. Bonds2

About 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine

4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine (PubChem CID 117491842) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
PubChem CID117491842
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
SMILESFc1c(Cl)ccc(Br)c1CC1CCNCC1
InChIInChI=1S/C12H14BrClFN/c13-10-1-2-11(14)12(15)9(10)7-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2
InChIKeyQOYLHFVWUAZSEN-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
4-[(3-chloro-2,5,6-trifluorophenyl)methyl]piperidine
CID 117414030
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
4-chloro-3,6-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117409129
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398054
4-[(6-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398051
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117491239
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine (CID 117491842) is 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine is Fc1c(Cl)ccc(Br)c1CC1CCNCC1.
What is the InChIKey of 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine?
The InChIKey is QOYLHFVWUAZSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c13-10-1-2-11(14)12(15)9(10)7-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2.
What are the key properties of 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine?
4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine has a molecular weight of 306.61 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 117491842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).